(5-methyl-3-propyl-1H-pyrazol-4-yl)methanol

C8H14N2O — CID 54850694

IUPAC(5-methyl-3-propyl-1H-pyrazol-4-yl)methanol
SMILESCCCc1n[nH]c(C)c1CO
InChIInChI=1S/C8H14N2O/c1-3-4-8-7(5-11)6(2)9-10-8/h11H,3-5H2,1-2H3,(H,9,10)
InChIKeyGAZGIEXYTSVYRI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.16
Rot. Bonds3

About (5-methyl-3-propyl-1H-pyrazol-4-yl)methanol

(5-methyl-3-propyl-1H-pyrazol-4-yl)methanol (PubChem CID 54850694) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (5-methyl-3-propyl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-methyl-3-propyl-1H-pyrazol-4-yl)methanol
PubChem CID54850694
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(5-methyl-3-propyl-1H-pyrazol-4-yl)methanol
SMILESCCCc1n[nH]c(C)c1CO
InChIInChI=1S/C8H14N2O/c1-3-4-8-7(5-11)6(2)9-10-8/h11H,3-5H2,1-2H3,(H,9,10)
InChIKeyGAZGIEXYTSVYRI-UHFFFAOYSA-N
XLogP1.16
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-propyl-1H-pyrazol-4-yl)methanol?
The IUPAC name of (5-methyl-3-propyl-1H-pyrazol-4-yl)methanol (CID 54850694) is (5-methyl-3-propyl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (5-methyl-3-propyl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for (5-methyl-3-propyl-1H-pyrazol-4-yl)methanol is CCCc1n[nH]c(C)c1CO.
What is the InChIKey of (5-methyl-3-propyl-1H-pyrazol-4-yl)methanol?
The InChIKey is GAZGIEXYTSVYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-8-7(5-11)6(2)9-10-8/h11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of (5-methyl-3-propyl-1H-pyrazol-4-yl)methanol?
(5-methyl-3-propyl-1H-pyrazol-4-yl)methanol has a molecular weight of 154.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-propyl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 54850694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).